T787-4525 Screening compound: N-(2-chloro-4-methylphenyl)-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

T787-4525 Screening compound: N-(2-chloro-4-methylphenyl)-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
T787-4525 Screening compound: N-(2-chloro-4-methylphenyl)-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T787-4525
N-(2-chloro-4-methylphenyl)-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

T787-4525

Molecular Formula

C22H30ClN3O3 (C22 H30 ClN3 O3)

Compound Name

N-(2-chloro-4-methylphenyl)-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

IUPAC name

N-(2-chloro-4-methylphenyl)-4-(piperidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

SMILES

Cc(cc1)cc(Cl)c1NC(N(C1)CC2(CCOCC2)C1C(N1CCCCC1)=O)=O

InChI

InChI=1S/C22H30ClN3O3/c1-16-5-6-19(18(23)13-16)24-21(28)26-14-17(20(27)25-9-3-2-4-10-25)22(15-26)7-11-29-12-8-22/h5-6,13,17H,2-4,7-12,14-15H2,1H3,(H,24,28)/t17-/m0/s1

InChI Key

XCKHTHOFKCWUOH-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD29032182

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.95

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.356

Distribution Coefficient, logD

3.356

Water Solubility, LogSw

-3.53

Polar Surface Area

49.720

Acid Dissociation Constant (pKa)

11.93

Base Dissociation Constant (pKb)

-0.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.60

T787-4525 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetics of Beta-Turn Motifs Library (2153 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with T787-4525 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T787-4525?
Check Price and Availability of T787-4525, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of T787-4525 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T787-4525
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T787-4525
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of T787-4525 available by request